UCSF

ZINC34615616

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.35 1.54 -111.16 6 3 2 59 181.283 5
Hi High (pH 8-9.5) -0.35 1.15 -47.67 5 3 1 57 180.275 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )